QSAR Modeling of the NMDA Receptor Blockage by Polypharmacophoric Compounds Based on Carbazole and 1-aminoadamantane Derivatives

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Published: Oct 2, 2018
DOI: https://doi.org/10.18097/BMCRM00064
Keywords:
QSAR NMDAR polypharmacophoric compounds

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V.Yu. Grigorev
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia
O.A. Raevsky
Institute of Physiologically Active Compounds of the Russian Academy of Sciences, 1 Severny proezd, Moscow region, Chernogolovka, 142432 Russia

Abstract

We investigated 14 compounds causing the NMDA receptor blockage. These polypharmacophoric compounds are conjugates of carbazole, tetrahydrocarbazole and 1-aminoadamantane derivatives. As a measure of biological activity of the compound tested, the IC50 (μM) value, reflecting 50% inhibition of [H3] MK-801 binding to the NMDA receptor, was used. The regression model with satisfactory statistical characteristics was obtained as a result of the QSAR modeling based on the Gaussian process.

Article Details

How to Cite
Grigorev, V., & Raevsky, O. (2018). QSAR Modeling of the NMDA Receptor Blockage by Polypharmacophoric Compounds Based on Carbazole and 1-aminoadamantane Derivatives. Biomedical Chemistry: Research and Methods, 1(3), e00064. https://doi.org/10.18097/BMCRM00064
Issue
Vol. 1 No. 3 (2018)
Section
EXPERIMENTAL RESEARCH

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